4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-
TL;DR: 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- (CAS 2164-83-2) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: 4,6-Dihydroxy-5-nitropyrimidine, 5-Nitropyrimidine-4,6-diol, 4,6-Dihydroxy-5-nitropyrimdine, 3-Acetylindole, 5-Nitro-4,6-pyrimidinediol
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 2164-83-2 |
|---|---|
| SMILES | C1=NC(=C(C(=O)N1)[N+](=O)[O-])O |
| InChIKey | ABTLZAVJDRUDNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- (CAS 2164-83-2), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-
Property Insights of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-
The XLogP value of -0.3 indicates that 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-?
The CAS number of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- is 2164-83-2.
What is the molecular formula of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-?
The molecular formula of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- is C4H3N3O4.
What is the molecular weight of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-?
The molecular weight of 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- is 157.01 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-?
You can request a quote for 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.